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PDB: 98 results

5MHH
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BU of 5mhh by Molmil
Crystal structure of engineered human lipocalin 2 carrying p-boronophenylalanine at position 36
Descriptor: Neutrophil gelatinase-associated lipocalin, SULFATE ION
Authors:Skerra, A, Eichinger, A.
Deposit date:2016-11-24
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rational Design of an Anticalin-Type Sugar-Binding Protein Using a Genetically Encoded Boronate Side Chain.
ACS Synth Biol, 6, 2017
6TIP
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BU of 6tip by Molmil
Engineered streptavidin variant (YNAFM) in complex with the Strep-tag II peptide
Descriptor: AMINO GROUP, Strep-tag II peptide, Streptavidin
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6ZVF
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BU of 6zvf by Molmil
Crystal structure of the recombinant Fab fragment derived from the hybridoma M3/38 in complex with a human Galectin-3 peptide
Descriptor: Chimeric Fab M3/38 (L,H), Galectin-3
Authors:Skerra, A, Eichinger, A.
Deposit date:2020-07-24
Release date:2021-04-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effective rational humanization of a PASylated anti-galectin-3 Fab for the sensitive PET imaging of thyroid cancer in vivo.
Sci Rep, 11, 2021
6Z2C
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BU of 6z2c by Molmil
Engineered lipocalin C3A5 in complex with a transition state analog
Descriptor: 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2020-05-15
Release date:2021-05-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of an engineered lipocalin that catalyzes a Diels-Alder reaction
To be published
6Z6Z
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BU of 6z6z by Molmil
Crystal structure of an Anticalin directed towards colchicine without ligand
Descriptor: CALCIUM ION, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2020-05-29
Release date:2021-06-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural rearrangement in the ligand pocket of Colchicalin upon Colchicine binding
To be published
6GR0
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BU of 6gr0 by Molmil
Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin
Descriptor: 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
6GQZ
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BU of 6gqz by Molmil
Petrobactin-binding engineered lipocalin without ligand
Descriptor: Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-06-08
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
3P7H
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BU of 3p7h by Molmil
Structure of the human Langerin carbohydrate recognition domain in complex with maltose
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Skerra, A, Schiefner, A.
Deposit date:2010-10-12
Release date:2010-11-03
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Mol.Immunol., 45, 2008
3P7G
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BU of 3p7g by Molmil
Structure of the human Langerin carbohydrate recognition domain in complex with mannose
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, alpha-D-mannopyranose
Authors:Skerra, A, Schiefner, A.
Deposit date:2010-10-12
Release date:2010-11-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Mol.Immunol., 45, 2008
3P7F
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BU of 3p7f by Molmil
Structure of the human Langerin carbohydrate recognition domain
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION
Authors:Skerra, A, Schiefner, A.
Deposit date:2010-10-12
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The carbohydrate recognition domain of Langerin reveals high structural similarity with the one of DC-SIGN but an additional, calcium-independent sugar-binding site.
Mol.Immunol., 45, 2008
6QBB
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BU of 6qbb by Molmil
Engineered streptavidin variant (ENAGY) in complex with the Strep-tag II peptide
Descriptor: Strep-tag II peptide, Streptavidin
Authors:Skerra, A, Eichinger, A.
Deposit date:2018-12-20
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6QSY
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BU of 6qsy by Molmil
Engineered streptavidin variant (H--WY) in complex with the Strep-tag II peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Strep-tag II peptide, Streptavidin, ...
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-02-22
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6QW4
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BU of 6qw4 by Molmil
Engineered streptavidin variant (ACGR) in complex with the Strep-tag II peptide
Descriptor: Strep-tag II peptide, Streptavidin
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-03-05
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6QMU
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BU of 6qmu by Molmil
A tetrahedral boronic acid diester formed by a non-natural amino acid in the ligand pocket of an engineered lipocalin
Descriptor: 3-nitrophenol, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-02-08
Release date:2019-08-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A Tetrahedral Boronic Acid Diester Formed by an Unnatural Amino Acid in the Ligand Pocket of an Engineered Lipocalin.
Chembiochem, 21, 2020
6SOK
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BU of 6sok by Molmil
Engineered streptavidin variant (VTAR) in complex with the Twin-Strep-tag peptide
Descriptor: AMINO GROUP, Streptavidin, Twin-Strep-tag peptide
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
6SOS
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BU of 6sos by Molmil
Engineered streptavidin variant (ENAGY) in complex with the Twin-Strep-tag peptide
Descriptor: Streptavidin, Twin-Strep-tag peptide
Authors:Skerra, A, Eichinger, A.
Deposit date:2019-08-29
Release date:2020-09-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Role of Changing Loop Conformations in Streptavidin Versions Engineered for High-affinity Binding of the Strep-tag II Peptide.
J.Mol.Biol., 433, 2021
5NBW
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BU of 5nbw by Molmil
Crystal structure of the Fab fragment 22F12 in complex with 3-hydroxybenzo[a]pyrene
Descriptor: Fab 22F12 (A,B), Fab 22F12 (L,H), benzo[a]pyren-3-ol
Authors:Skerra, A, Eichinger, A.
Deposit date:2017-03-02
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody.
Angew. Chem. Int. Ed. Engl., 56, 2017
5NKN
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BU of 5nkn by Molmil
Crystal structure of an Anticalin-colchicine complex
Descriptor: N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, Neutrophil gelatinase-associated lipocalin
Authors:Skerra, A, Eichinger, A, Barkovskiy, M.
Deposit date:2017-03-31
Release date:2018-04-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An engineered lipocalin that tightly complexes the plant poison colchicine for use as antidote and in bioanalytical applications.
Biol. Chem., 400, 2019
1T0V
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BU of 1t0v by Molmil
NMR Solution Structure of the Engineered Lipocalin FluA(R95K) Northeast Structural Genomics Target OR17
Descriptor: BILIN-BINDING PROTEIN
Authors:Mills, J.L, Liu, G, Skerra, A, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2004-04-13
Release date:2005-06-14
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:NMR structure and dynamics of the engineered fluorescein-binding lipocalin FluA reveal rigidification of beta-barrel and variable loops upon enthalpy-driven ligand binding.
Biochemistry, 48, 2009
8B50
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BU of 8b50 by Molmil
Crystal structure of a Fab fragment in complex with L-hydroxycoumarylalanine
Descriptor: (2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid, Fab fragment K12F9-22 - heavy chain, Fab fragment K12F9-22 - light chain, ...
Authors:Meining, W, Eichinger, A, Skerra, A.
Deposit date:2022-09-21
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Preparation and characterization of monoclonal antibodies against a non natural amino acid carrying the 7-hydroxycoumarin side chain
To be published
2HZQ
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BU of 2hzq by Molmil
Crystal structure of human apolipoprotein D (ApoD) in complex with progesterone
Descriptor: Apolipoprotein D, PROGESTERONE
Authors:Eichinger, A, Skerra, A.
Deposit date:2006-08-09
Release date:2007-08-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d.
J.Biol.Chem., 282, 2007
2HZR
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BU of 2hzr by Molmil
Crystal structure of human apolipoprotein D (ApoD)
Descriptor: Apolipoprotein D
Authors:Eichinger, A, Skerra, A.
Deposit date:2006-08-09
Release date:2007-08-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into the dual ligand specificity and mode of high density lipoprotein association of apolipoprotein d.
J.Biol.Chem., 282, 2007
7P85
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BU of 7p85 by Molmil
Engineered phosphotriesterase BdPTE 10-2-C3(C59V/C227V) in complex with ethyl-4-methylbenzylphosphonate
Descriptor: FORMIC ACID, GLYCEROL, Parathion hydrolase, ...
Authors:Eichinger, A, Skerra, A.
Deposit date:2021-07-21
Release date:2022-08-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Structural and Functional Analysis of a Highly Active Designed Phosphotriesterase for the Detoxification of Organophosphate Nerve Agents Reveals an Unpredicted Conformation of the Active Site Loop.
Biochemistry, 62, 2023
4I5G
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BU of 4i5g by Molmil
Crystal structure of Ralstonia sp. alcohol dehydrogenase mutant N15G, G37D, R38V, R39S, A86N, S88A
Descriptor: Alclohol dehydrogenase/short-chain dehydrogenase
Authors:Jarasch, A, Lerchner, A, Meining, W, Schiefner, A, Skerra, A.
Deposit date:2012-11-28
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic analysis and structure-guided engineering of NADPH-dependent Ralstonia sp. Alcohol dehydrogenase toward NADH cosubstrate specificity.
Biotechnol.Bioeng., 110, 2013
4IDF
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BU of 4idf by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HMF
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-5-methylfuran-3(2H)-one, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schiefner, A, Skerra, A.
Deposit date:2012-12-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013

 

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